SCHEMBL9565408

SCHEMBL9565408

COCCOc1c(Br)ccc(C(=O)c2cnoc2C2CC2)c1S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.33
STAT1 P42224 1/20 0.31
NAMPT P43490 1/20 0.30
DHODH Q02127 1/20 0.30
PDE2A O00408 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9236395 0.89 DHODH (0.33) DHODHPDE2A
SCHEMBL8492241 0.88 STAT1 (0.34) PDE4BSTAT1DHODHPDE2A
SCHEMBL8887517 0.87 STAT1 (0.33) STAT1NAMPTDHODHPDE2A
SCHEMBL9115598 0.87 DHODH (0.35) DHODH
SCHEMBL6559424 0.86 CNR2 (0.33) NAMPTDHODHPDE2A
SCHEMBL8886658 0.85 CNR2 (0.31) PDE4BDHODHPDE2A
SCHEMBL9115912 0.83 DHODH (0.33) DHODH
SCHEMBL8488423 0.83 RXFP1 (0.34) PDE4B
SCHEMBL8886617 0.82 PDE2A (0.31) STAT1NAMPTPDE2A
SCHEMBL8887238 0.81 BTK (0.32) PDE4BDHODHPDE2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560483-A1 4 Benzopyl isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-09-15 EP claimed
EP-0560483-A1 4 Benzopyl isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-09-15 EP disclosed